2-[4-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[3-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]piperazino]ethanol Formula: C30H31N5O2 MolecularWeight: 493.59944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCN(CC4)CCO)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCN4CCN(CC4)CCO)OC5=CC=CC=C5

InChI

InChI=1S/C30H31N5O2/c1-23-20-25(10-12-29(23)37-26-7-3-2-4-8-26)33-30-27-21-24(9-11-28(27)31-22-32-30)6-5-13-34-14-16-35(17-15-34)18-19-36/h2-4,7-12,20-22,36H,13-19H2,1H3,(H,31,32,33)